hypoglaucin A   Click here for help

GtoPdb Ligand ID: 842

Synonyms: (-)-hypoglaucine A
Comment: Extracted from Trillium erectum L. (roots).

Beware that the name hypoglaucin A is often confused with hypoglycin(e) which is an entirely different compound.
Click here for help
2D Structure
Click here for help
Click here for structure editor
Physico-chemical Properties
Click here for help
Hydrogen bond acceptors 15
Hydrogen bond donors 8
Rotatable bonds 7
Topological polar surface area 226.45
Molecular weight 866.5
XLogP 3.87
No. Lipinski's rules broken 2
Click here for help
Isomeric SMILES OC[C@H]1O[C@@H](O[C@H]2CC[C@]3(C(=CC[C@@H]4[C@@H]3CC[C@]3([C@H]4C[C@H]4[C@@H]3[C@H](C)[C@]3(O4)CC[C@@H](CO3)C)C)C2)C)[C@@H]([C@H]([C@@H]1O)O[C@@H]1O[C@@H](C)[C@@H]([C@H]([C@H]1O)O)O)O[C@H]1C[C@H](C)[C@H]([C@H]([C@H]1O)O)O
InChI InChI=1S/C46H74O15/c1-20-9-14-46(55-19-20)22(3)32-29(61-46)17-28-26-8-7-24-16-25(10-12-44(24,5)27(26)11-13-45(28,32)6)57-43-41(58-30-15-21(2)33(48)37(52)35(30)50)40(36(51)31(18-47)59-43)60-42-39(54)38(53)34(49)23(4)56-42/h7,20-23,25-43,47-54H,8-19H2,1-6H3/t20-,21-,22-,23-,25-,26+,27-,28-,29-,30-,31+,32-,33+,34-,35-,36+,37+,38+,39+,40-,41+,42-,43+,44-,45-,46+/m0/s1
Classification Click here for help
Compound class Natural product or derivative
Synonyms Click here for help
(-)-hypoglaucine A
Database Links Click here for help
Specialist databases
GPCRdb Ligand hypoglaucin A
Other databases
CAS Registry No. 93528-39-3 (source: SciFinder)
GtoPdb PubChem SID 135652692
PubChem CID 71446540
Search Google for chemical match using the InChIKey SRFKCMVQTOGLCC-NSNPDTTGSA-N
Search Google for chemicals with the same backbone SRFKCMVQTOGLCC
UniChem Compound Search for chemical match using the InChIKey SRFKCMVQTOGLCC-NSNPDTTGSA-N
UniChem Connectivity Search for chemical match using the InChIKey SRFKCMVQTOGLCC-NSNPDTTGSA-N